Molecule Details
InChIKeyCMJCXYNUCSMDBY-ZDUSSCGKSA-N
Compound NameEncorafenib
Canonical SMILESCOC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)15
Pfam Stratification Cross-Family
Avg pChEMBL6.86
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11718
Drug NameEncorafenib
CAS Number1269440-17-6
Groups approved investigational
ATC Codes L01EC03
DescriptionEncorafenib, also known as _BRAFTOVI_, is a kinase inhibitor. Encorafenib inhibits BRAF gene, which encodes for B-raf protein, which is a proto-oncogene involved in various genetic mutations.[L12216] This protein plays a role in regulating the MAP kinase/ERK signaling pathway, which impacts cell div...

Categories: Amides Antineoplastic Agents Antineoplastic and Immunomodulating Agents B-Raf serine-threonine kinase (BRAF) inhibitors BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strength unknown) Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Kinase Inhibitor Moderate Risk QTc-Prolonging Agents OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors OCT2 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Protein Kinase Inhibitors QTc Prolonging Agents Sulfones Sulfur Compounds UGT1A1 Inhibitors
Cross-references: BindingDB: 221688 CHEMBL3301612 ChemSpider: 28536139 Drugs Product Database (DPD): 23572 PharmGKB: PA166179872 PubChem:50922675 PubChem:347828081 RxCUI: 2049106 Wikipedia: Encorafenib ZINC: ZINC000068249103
Target Activities (15)
Target Gene Organism Category Pfam pChEMBL Type Source
P04049 RAF1 Homo sapiens Human PF00130 PF07714 PF02196 8.8 IC50 BindingDB
P15056 BRAF Homo sapiens Human PF00130 PF07714 PF02196 8.7 IC50 ChEMBL;BindingDB
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 7.6 Kd ChEMBL
P49585 PCYT1A Homo sapiens Human PF01467 7.4 Kd ChEMBL
P53671 LIMK2 Homo sapiens Human PF00412 PF00595 PF07714 7.0 Kd ChEMBL
P11802 CDK4 Homo sapiens Human PF00069 7.0 Kd ChEMBL
O00264 PGRMC1 Homo sapiens Human PF00173 6.7 Kd ChEMBL
P51617 IRAK1 Homo sapiens Human PF00531 PF00069 6.6 Kd ChEMBL
O43353 RIPK2 Homo sapiens Human PF00619 PF07714 6.5 Kd ChEMBL
P49841 GSK3B Homo sapiens Human PF00069 6.4 Kd ChEMBL
Q9UBE8 NLK Homo sapiens Human PF00069 6.1 Kd ChEMBL
Q9NYL2 MAP3K20 Homo sapiens Human PF07714 PF07647 6.1 Kd ChEMBL
Q16584 MAP3K11 Homo sapiens Human PF07714 PF14604 6.1 Kd ChEMBL
P45984 MAPK9 Homo sapiens Human PF00069 6.0 Kd ChEMBL
Q9Y572 RIPK3 Homo sapiens Human PF00069 PF12721 6.0 Kd ChEMBL
DrugBank Target Actions (34)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P20815 CYP3A5 Cytochrome P450 3A5 inhibitor enzymes
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 inhibitor enzymes
P24462 CYP3A7 Cytochrome P450 3A7 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P04049 RAF1 RAF proto-oncogene serine/threonine-protein kinase inhibitor targets
P15056 BRAF Serine/threonine-protein kinase B-raf inhibitor targets
P24385 CCND1 G1/S-specific cyclin-D1 inhibitor targets
P45983 MAPK8 Mitogen-activated protein kinase 8 inhibitor targets
P45984 MAPK9 Mitogen-activated protein kinase 9 inhibitor targets
P45985 MAP2K4 Dual specificity mitogen-activated protein kinase kinase 4 inhibitor targets
P53667 LIMK1 LIM domain kinase 1 inhibitor targets
P53671 LIMK2 LIM domain kinase 2 inhibitor targets
P53779 MAPK10 Mitogen-activated protein kinase 10 inhibitor targets
Q9NRP7 STK36 Serine/threonine-protein kinase 36 inhibitor targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 inhibitor transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 inhibitor transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters